VMD-L Mailing List
From: surya narayanan chandrasekaran (sonofsunsurya_at_gmail.com)
Date: Tue Sep 10 2013 - 14:12:27 CDT
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I have a doubt regarding dihedral opt procedure in FFTK. How many Gaussian
files will be prepared for dihedral opt ? each file for each dihedral angle
(or) each similar atom type only one file will be created?
Suryanarayanan C
M.S Chemist
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